[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C28H24N4O3S2 MolecularWeight: 528.64516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H24N4O3S2/c1-18-26(19(2)32(31-18)22-8-4-3-5-9-22)30-25(33)16-35-27(34)21-14-12-20(13-15-21)17-36-28-29-23-10-6-7-11-24(23)37-28/h3-15H,16-17H2,1-2H3,(H,30,33)